2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde

C7H11NO3 — CID 174440020

IUPAC2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde
SMILESCC1(C)NC(C(=O)C=O)CO1
InChIInChI=1S/C7H11NO3/c1-7(2)8-5(4-11-7)6(10)3-9/h3,5,8H,4H2,1-2H3
InChIKeyUVXZXDSOCGKVLC-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.52
Rot. Bonds2

About 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde

2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde (PubChem CID 174440020) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde
PubChem CID174440020
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde
SMILESCC1(C)NC(C(=O)C=O)CO1
InChIInChI=1S/C7H11NO3/c1-7(2)8-5(4-11-7)6(10)3-9/h3,5,8H,4H2,1-2H3
InChIKeyUVXZXDSOCGKVLC-UHFFFAOYSA-N
XLogP-0.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde (CID 174440020) is 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde is CC1(C)NC(C(=O)C=O)CO1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde?
The InChIKey is UVXZXDSOCGKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2)8-5(4-11-7)6(10)3-9/h3,5,8H,4H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde?
2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde has a molecular weight of 157.17 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174440020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).